6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]coumarin Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C)C

InChI

InChI=1S/C26H32N2O4S/c1-16-12-23-22(14-25(29)32-24(23)13-17(16)2)15-27-7-9-28(10-8-27)33(30,31)26-20(5)18(3)11-19(4)21(26)6/h11-14H,7-10,15H2,1-6H3